1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

C12H18ClNOS — CID 102763790

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Cl)s1)C1CCC(C)O1
InChIInChI=1S/C12H18ClNOS/c1-7-6-10(16-12(7)13)11(14-3)9-5-4-8(2)15-9/h6,8-9,11,14H,4-5H2,1-3H3
InChIKeyOCJMNJPHZHAGJP-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.54
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (PubChem CID 102763790) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
PubChem CID102763790
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
SMILESCNC(c1cc(C)c(Cl)s1)C1CCC(C)O1
InChIInChI=1S/C12H18ClNOS/c1-7-6-10(16-12(7)13)11(14-3)9-5-4-8(2)15-9/h6,8-9,11,14H,4-5H2,1-3H3
InChIKeyOCJMNJPHZHAGJP-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991165
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126590
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 115850284
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
CID 115850967
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81329814
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
N-[(4,5-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330145
1-(4-bromo-2,5-difluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81331183
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine (CID 102763790) is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is CNC(c1cc(C)c(Cl)s1)C1CCC(C)O1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
The InChIKey is OCJMNJPHZHAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-7-6-10(16-12(7)13)11(14-3)9-5-4-8(2)15-9/h6,8-9,11,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine?
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine has a molecular weight of 259.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 102763790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).